REMARK  Name = BDB030222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.255  -0.806  -0.496  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.046  -0.745  -1.166  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.268   0.120  -1.614  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.498  -1.703   0.310  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.496   1.157  -0.315  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -3.494   0.192  -0.103  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -2.259   0.255  -0.772  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.023   1.302  -1.661  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.850   1.392  -2.308  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.003   2.267  -1.884  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -2.718   3.560  -2.986  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.229   2.197  -1.219  0.00  0.00    +0.031 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -8.584  -1.456   0.989  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -7.776  -0.194   1.050  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -6.548  -0.105   0.376  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.786   1.077   0.391  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -6.294   2.180   1.096  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -7.522   2.106   1.758  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -8.262   0.926   1.731  0.00  0.00    +0.003 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        1.073  -1.629  -0.604  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        0.685  -2.275   0.104  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.359  -0.739   0.089  0.00  0.00    +0.046 S 
ATOM     23  O   LIG    1        2.133  -0.723   1.516  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        2.476   0.487  -0.673  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.736  -1.813  -0.285  0.00  0.00    +0.206 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.024  -1.304   0.361  0.00  0.00    +0.090 C 
ATOM     27  N   LIG    1        6.087  -2.335   0.216  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1        6.396  -2.289  -0.761  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        7.262  -1.905   1.009  0.00  0.00    +0.096 C 
ATOM     30  C   LIG    1        7.591  -0.394   0.895  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1        6.963   0.209  -0.291  0.00  0.00    -0.303 NA
ATOM     32  C   LIG    1        7.345   1.610  -0.448  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1        5.491   0.066  -0.230  0.00  0.00    +0.104 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6